N-[3-[[4-(4-benzoylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide

C22H23N7O2 — CID 53362167

IUPACN-[3-[[4-(4-benzoylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ncnc(N3CCN(C(=O)c4ccccc4)CC3)n2)c1
InChIInChI=1S/C22H23N7O2/c1-16(30)25-18-8-5-9-19(14-18)26-21-23-15-24-22(27-21)29-12-10-28(11-13-29)20(31)17-6-3-2-4-7-17/h2-9,14-15H,10-13H2,1H3,(H,25,30)(H,23,24,26,27)
InChIKeyBKYMGPJHTCDMHJ-UHFFFAOYSA-N
MW417.47 g/mol
LogP2.54
Rot. Bonds5

About N-[3-[[4-(4-benzoylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide

N-[3-[[4-(4-benzoylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide (PubChem CID 53362167) has the molecular formula C22H23N7O2 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-[3-[[4-(4-benzoylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[4-(4-benzoylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
PubChem CID53362167
Molecular FormulaC22H23N7O2
Molecular Weight417.47 g/mol
Exact Mass417.19
IUPAC NameN-[3-[[4-(4-benzoylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ncnc(N3CCN(C(=O)c4ccccc4)CC3)n2)c1
InChIInChI=1S/C22H23N7O2/c1-16(30)25-18-8-5-9-19(14-18)26-21-23-15-24-22(27-21)29-12-10-28(11-13-29)20(31)17-6-3-2-4-7-17/h2-9,14-15H,10-13H2,1H3,(H,25,30)(H,23,24,26,27)
InChIKeyBKYMGPJHTCDMHJ-UHFFFAOYSA-N
XLogP2.54
TPSA103.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[[4-(4-phenylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 45136898
4-[[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]amino]methyl]-N-ethyl-N-(3-methylphenyl)benzamide
CID 46850607
N-[2-methyl-3-[[4-(4-phenylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 53362171
N-[3-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 53362973
4-(4-(((1-acryloylpiperidin-4-yl)methyl)amino)-6-aminopyrimidin-5-yl)-N-phenylbenzamide
CID 86721813
1-[6-[[4-[4-(Piperidine-1-carbonyl)anilino]-1,3,5-triazin-2-yl]amino]-2,3-dihydroindol-1-yl]prop-2-en-1-one
CID 151235424
N-[2-methyl-5-[[4-[4-(piperidine-1-carbonyl)anilino]-1,3,5-triazin-2-yl]amino]phenyl]prop-2-enamide
CID 152011470
[4-[[4-(Methylamino)-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]-1-piperidyl]-phenyl-methanone
CID 57394870
2-[[4-[4-(aminomethyl)anilino]-1,3,5-triazin-2-yl]amino]-N-methylbenzamide
CID 71813143
2-[[4-[4-(aminomethyl)anilino]-1,3,5-triazin-2-yl]amino]-N-ethylbenzamide
CID 71813144
2-[[4-[4-(aminomethyl)anilino]-1,3,5-triazin-2-yl]amino]-N-propan-2-ylbenzamide
CID 71813145
[4-(Benzylamino)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 118708992

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(4-benzoylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[3-[[4-(4-benzoylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide (CID 53362167) is N-[3-[[4-(4-benzoylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[4-(4-benzoylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-[[4-(4-benzoylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2ncnc(N3CCN(C(=O)c4ccccc4)CC3)n2)c1.
What is the InChIKey of N-[3-[[4-(4-benzoylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The InChIKey is BKYMGPJHTCDMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O2/c1-16(30)25-18-8-5-9-19(14-18)26-21-23-15-24-22(27-21)29-12-10-28(11-13-29)20(31)17-6-3-2-4-7-17/h2-9,14-15H,10-13H2,1H3,(H,25,30)(H,23,24,26,27).
What are the key properties of N-[3-[[4-(4-benzoylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
N-[3-[[4-(4-benzoylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide has a molecular weight of 417.47 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(4-benzoylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 53362167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).